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Compile Data Set for Download or QSAR

Found 74 hits Enz. Inhib. hit(s) with Target = 'Glutamate racemase' AND taxid = 85963   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421064
PNG
(CHEMBL2087855)
Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#CCn3cncn3)c(=O)c12)C#N
Show InChI InChI=1S/C31H25ClN10O2/c1-38-15-21(14-33)12-26(38)28-27-29(37-42(28)17-22-8-9-35-25-7-6-23(32)13-24(22)25)41(16-20-4-5-20)31(44)40(30(27)43)11-3-2-10-39-19-34-18-36-39/h6-9,12-13,15,18-20H,4-5,10-11,16-17H2,1H3
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421055
PNG
(CHEMBL1652588)
Show SMILES Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C26H22ClN7O2/c1-3-10-32-25(35)22-23(21-12-28-15-31(21)2)34(30-24(22)33(26(32)36)13-16-4-5-16)14-17-8-9-29-20-7-6-18(27)11-19(17)20/h1,6-9,11-12,15-16H,4-5,10,13-14H2,2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50215445
PNG
(5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropy...)
Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)C#N
Show InChI InChI=1S/C26H22ClN7O2/c1-31-12-16(11-28)9-21(31)23-22-24(33(13-15-3-4-15)26(36)32(2)25(22)35)30-34(23)14-17-7-8-29-20-6-5-18(27)10-19(17)20/h5-10,12,15H,3-4,13-14H2,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421065
PNG
(CHEMBL2087856)
Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#C)c(=O)c12)C#N
Show InChI InChI=1S/C28H22ClN7O2/c1-3-10-34-27(37)24-25(23-11-18(13-30)14-33(23)2)36(32-26(24)35(28(34)38)15-17-4-5-17)16-19-8-9-31-22-7-6-20(29)12-21(19)22/h1,6-9,11-12,14,17H,4-5,10,15-16H2,2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50262114
PNG
(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylme...)
Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)(=O)=O
Show InChI InChI=1S/C26H25ClN6O4S/c1-30-14-18(38(3,36)37)11-21(30)23-22-24(32(12-15-4-5-15)26(35)31(2)25(22)34)29-33(23)13-16-8-9-28-20-7-6-17(27)10-19(16)20/h6-11,14-15H,4-5,12-13H2,1-3H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421042
PNG
(CHEMBL2087619)
Show SMILES CC(=O)c1cc(-c2n(Cc3ccnc4ccc(Cl)cc34)nc3n(CC4CC4)c(=O)n(C)c(=O)c23)n(C)c1
Show InChI InChI=1S/C27H25ClN6O3/c1-15(35)18-10-22(31(2)13-18)24-23-25(33(12-16-4-5-16)27(37)32(3)26(23)36)30-34(24)14-17-8-9-29-21-7-6-19(28)11-20(17)21/h6-11,13,16H,4-5,12,14H2,1-3H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421086
PNG
(CHEMBL2087620)
Show SMILES Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C24H22ClN7O2/c1-29-13-26-10-19(29)21-20-22(31(11-14-3-4-14)24(34)30(2)23(20)33)28-32(21)12-15-7-8-27-18-6-5-16(25)9-17(15)18/h5-10,13-14H,3-4,11-12H2,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421066
PNG
(CHEMBL2087857)
Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#CCN3CCOCC3)c(=O)c12)C#N
Show InChI InChI=1S/C33H31ClN8O3/c1-38-19-23(18-35)16-28(38)30-29-31(37-42(30)21-24-8-9-36-27-7-6-25(34)17-26(24)27)41(20-22-4-5-22)33(44)40(32(29)43)11-3-2-10-39-12-14-45-15-13-39/h6-9,16-17,19,22H,4-5,10-15,20-21H2,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421056
PNG
(CHEMBL2087846)
Show SMILES Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#CCO)c(=O)c12
Show InChI InChI=1S/C27H24ClN7O3/c1-32-16-29-13-22(32)24-23-25(31-35(24)15-18-8-9-30-21-7-6-19(28)12-20(18)21)34(14-17-4-5-17)27(38)33(26(23)37)10-2-3-11-36/h6-9,12-13,16-17,36H,4-5,10-11,14-15H2,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421067
PNG
(CHEMBL2087858)
Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#N)c(=O)c12)C#N
Show InChI InChI=1S/C27H21ClN8O2/c1-33-13-17(12-30)10-22(33)24-23-25(35(14-16-2-3-16)27(38)34(9-7-29)26(23)37)32-36(24)15-18-6-8-31-21-5-4-19(28)11-20(18)21/h4-6,8,10-11,13,16H,2-3,9,14-15H2,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421057
PNG
(CHEMBL2087847)
Show SMILES Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC=C)c(=O)c12
Show InChI InChI=1S/C26H24ClN7O2/c1-3-10-32-25(35)22-23(21-12-28-15-31(21)2)34(30-24(22)33(26(32)36)13-16-4-5-16)14-17-8-9-29-20-7-6-18(27)11-19(17)20/h3,6-9,11-12,15-16H,1,4-5,10,13-14H2,2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421068
PNG
(CHEMBL2087859)
Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#CCO)c(=O)c12)C#N
Show InChI InChI=1S/C29H24ClN7O3/c1-34-15-19(14-31)12-24(34)26-25-27(33-37(26)17-20-8-9-32-23-7-6-21(30)13-22(20)23)36(16-18-4-5-18)29(40)35(28(25)39)10-2-3-11-38/h6-9,12-13,15,18,38H,4-5,10-11,16-17H2,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421044
PNG
(CHEMBL2087622)
Show SMILES Cc1cc(oc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)C#N
Show InChI InChI=1S/C26H21ClN6O3/c1-14-9-18(11-28)36-23(14)22-21-24(32(12-15-3-4-15)26(35)31(2)25(21)34)30-33(22)13-16-7-8-29-20-6-5-17(27)10-19(16)20/h5-10,15H,3-4,12-13H2,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421069
PNG
(CHEMBL2087860)
Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12)C#N
Show InChI InChI=1S/C29H26ClN7O2/c1-34-13-19(12-31)10-24(34)26-25-27(33-37(26)16-20-8-9-32-23-7-6-21(30)11-22(20)23)35(14-17-2-3-17)29(39)36(28(25)38)15-18-4-5-18/h6-11,13,17-18H,2-5,14-16H2,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421058
PNG
(CHEMBL2087848)
Show SMILES CC#CCn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cncn3C)c2c1=O
Show InChI InChI=1S/C27H24ClN7O2/c1-3-4-11-33-26(36)23-24(22-13-29-16-32(22)2)35(31-25(23)34(27(33)37)14-17-5-6-17)15-18-9-10-30-21-8-7-19(28)12-20(18)21/h7-10,12-13,16-17H,5-6,11,14-15H2,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421059
PNG
(CHEMBL2087849)
Show SMILES Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12
Show InChI InChI=1S/C27H26ClN7O2/c1-32-15-29-11-22(32)24-23-25(31-35(24)14-18-8-9-30-21-7-6-19(28)10-20(18)21)33(12-16-2-3-16)27(37)34(26(23)36)13-17-4-5-17/h6-11,15-17H,2-5,12-14H2,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421070
PNG
(CHEMBL2087861)
Show SMILES CCn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cc(cn3C)C#N)c2c1=O
Show InChI InChI=1S/C27H24ClN7O2/c1-3-33-26(36)23-24(22-10-17(12-29)13-32(22)2)35(31-25(23)34(27(33)37)14-16-4-5-16)15-18-8-9-30-21-7-6-19(28)11-20(18)21/h6-11,13,16H,3-5,14-15H2,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421071
PNG
(CHEMBL2087862)
Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC=C)c(=O)c12)C#N
Show InChI InChI=1S/C28H24ClN7O2/c1-3-10-34-27(37)24-25(23-11-18(13-30)14-33(23)2)36(32-26(24)35(28(34)38)15-17-4-5-17)16-19-8-9-31-22-7-6-20(29)12-21(19)22/h3,6-9,11-12,14,17H,1,4-5,10,15-16H2,2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421060
PNG
(CHEMBL2087850)
Show SMILES CCn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cncn3C)c2c1=O
Show InChI InChI=1S/C25H24ClN7O2/c1-3-31-24(34)21-22(20-11-27-14-30(20)2)33(29-23(21)32(25(31)35)12-15-4-5-15)13-16-8-9-28-19-7-6-17(26)10-18(16)19/h6-11,14-15H,3-5,12-13H2,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421072
PNG
(CHEMBL2087863)
Show SMILES CC#CCn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cc(cn3C)C#N)c2c1=O
Show InChI InChI=1S/C29H24ClN7O2/c1-3-4-11-35-28(38)25-26(24-12-19(14-31)15-34(24)2)37(33-27(25)36(29(35)39)16-18-5-6-18)17-20-9-10-32-23-8-7-21(30)13-22(20)23/h7-10,12-13,15,18H,5-6,11,16-17H2,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421088
PNG
(CHEMBL2087851)
Show SMILES Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C3CC3)c(=O)c12
Show InChI InChI=1S/C26H24ClN7O2/c1-31-14-28-11-21(31)23-22-24(32(12-15-2-3-15)26(36)34(25(22)35)18-5-6-18)30-33(23)13-16-8-9-29-20-7-4-17(27)10-19(16)20/h4,7-11,14-15,18H,2-3,5-6,12-13H2,1H3
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n/an/a 79n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421073
PNG
(CHEMBL2087864)
Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C3CC3)c(=O)c12)C#N
Show InChI InChI=1S/C28H24ClN7O2/c1-33-13-17(12-30)10-23(33)25-24-26(34(14-16-2-3-16)28(38)36(27(24)37)20-5-6-20)32-35(25)15-18-8-9-31-22-7-4-19(29)11-21(18)22/h4,7-11,13,16,20H,2-3,5-6,14-15H2,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421045
PNG
(CHEMBL2087623)
Show SMILES CC(C)Cn1c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cc(cn3C)C#N)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C26H24ClN7O2/c1-15(2)12-33-24-22(25(35)32(4)26(33)36)23(21-9-16(11-28)13-31(21)3)34(30-24)14-17-7-8-29-20-6-5-18(27)10-19(17)20/h5-10,13,15H,12,14H2,1-4H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421043
PNG
(CHEMBL2087621)
Show SMILES Cn1cc(nc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)C#N
Show InChI InChI=1S/C25H21ClN8O2/c1-31-13-17(10-27)29-23(31)21-20-22(33(11-14-3-4-14)25(36)32(2)24(20)35)30-34(21)12-15-7-8-28-19-6-5-16(26)9-18(15)19/h5-9,13-14H,3-4,11-12H2,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421074
PNG
(CHEMBL2087865)
Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CCO)c(=O)c12)C#N
Show InChI InChI=1S/C27H24ClN7O3/c1-32-13-17(12-29)10-22(32)24-23-25(34(14-16-2-3-16)27(38)33(8-9-36)26(23)37)31-35(24)15-18-6-7-30-21-5-4-19(28)11-20(18)21/h4-7,10-11,13,16,36H,2-3,8-9,14-15H2,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421080
PNG
(CHEMBL2088115)
Show SMILES Cn1cc(nc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#C)c(=O)c12)C#N
Show InChI InChI=1S/C27H21ClN8O2/c1-3-10-34-26(37)22-23(25-31-19(12-29)15-33(25)2)36(32-24(22)35(27(34)38)13-16-4-5-16)14-17-8-9-30-21-7-6-18(28)11-20(17)21/h1,6-9,11,15-16H,4-5,10,13-14H2,2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421085
PNG
(CHEMBL2088120)
Show SMILES CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3cncn3C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C25H26N6O2/c1-16(2)13-30-23-21(24(32)29(4)25(30)33)22(20-12-26-15-28(20)3)31(27-23)14-18-10-7-9-17-8-5-6-11-19(17)18/h5-12,15-16H,13-14H2,1-4H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421075
PNG
(CHEMBL2087866)
Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#CCn3cccn3)c(=O)c12)C#N
Show InChI InChI=1S/C32H26ClN9O2/c1-38-18-22(17-34)15-27(38)29-28-30(37-42(29)20-23-9-11-35-26-8-7-24(33)16-25(23)26)41(19-21-5-6-21)32(44)40(31(28)43)14-3-2-12-39-13-4-10-36-39/h4,7-11,13,15-16,18,21H,5-6,12,14,19-20H2,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421081
PNG
(CHEMBL2088116)
Show SMILES Cn1cc(nc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12)C#N
Show InChI InChI=1S/C28H25ClN8O2/c1-34-15-20(11-30)32-26(34)24-23-25(33-37(24)14-18-8-9-31-22-7-6-19(29)10-21(18)22)35(12-16-2-3-16)28(39)36(27(23)38)13-17-4-5-17/h6-10,15-17H,2-5,12-14H2,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421076
PNG
(CHEMBL2087867)
Show SMILES CC(C#C)n1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cc(cn3C)C#N)c2c1=O
Show InChI InChI=1S/C29H24ClN7O2/c1-4-17(2)37-28(38)25-26(24-11-19(13-31)14-34(24)3)36(33-27(25)35(29(37)39)15-18-5-6-18)16-20-9-10-32-23-8-7-21(30)12-22(20)23/h1,7-12,14,17-18H,5-6,15-16H2,2-3H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421046
PNG
(CHEMBL2087624)
Show SMILES CC(C)Cn1c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cncn3C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C24H24ClN7O2/c1-14(2)11-31-22-20(23(33)30(4)24(31)34)21(19-10-26-13-29(19)3)32(28-22)12-15-7-8-27-18-6-5-16(25)9-17(15)18/h5-10,13-14H,11-12H2,1-4H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421061
PNG
(CHEMBL2087852)
Show SMILES Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#CCN3CCOCC3)c(=O)c12
Show InChI InChI=1S/C31H31ClN8O3/c1-36-20-33-17-26(36)28-27-29(35-40(28)19-22-8-9-34-25-7-6-23(32)16-24(22)25)39(18-21-4-5-21)31(42)38(30(27)41)11-3-2-10-37-12-14-43-15-13-37/h6-9,16-17,20-21H,4-5,10-15,18-19H2,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421082
PNG
(CHEMBL2088117)
Show SMILES CCn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3nc(cn3C)C#N)c2c1=O
Show InChI InChI=1S/C26H23ClN8O2/c1-3-33-25(36)21-22(24-30-18(11-28)14-32(24)2)35(31-23(21)34(26(33)37)12-15-4-5-15)13-16-8-9-29-20-7-6-17(27)10-19(16)20/h6-10,14-15H,3-5,12-13H2,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421062
PNG
(CHEMBL2087853)
Show SMILES CC(C)n1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cncn3C)c2c1=O
Show InChI InChI=1S/C26H26ClN7O2/c1-15(2)34-25(35)22-23(21-11-28-14-31(21)3)33(30-24(22)32(26(34)36)12-16-4-5-16)13-17-8-9-29-20-7-6-18(27)10-19(17)20/h6-11,14-16H,4-5,12-13H2,1-3H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421047
PNG
(CHEMBL2087625)
Show SMILES Cc1oc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)C#N
Show InChI InChI=1S/C26H21ClN6O3/c1-14-19(10-18(11-28)36-14)23-22-24(32(12-15-3-4-15)26(35)31(2)25(22)34)30-33(23)13-16-7-8-29-21-6-5-17(27)9-20(16)21/h5-10,15H,3-4,12-13H2,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421048
PNG
(CHEMBL2087626)
Show SMILES Cc1c[nH]nc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C24H22ClN7O2/c1-13-10-27-28-20(13)21-19-22(31(11-14-3-4-14)24(34)30(2)23(19)33)29-32(21)12-15-7-8-26-18-6-5-16(25)9-17(15)18/h5-10,14H,3-4,11-12H2,1-2H3,(H,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421049
PNG
(CHEMBL2087627)
Show SMILES Cn1cnnc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C23H21ClN8O2/c1-29-12-26-27-21(29)19-18-20(31(10-13-3-4-13)23(34)30(2)22(18)33)28-32(19)11-14-7-8-25-17-6-5-15(24)9-16(14)17/h5-9,12-13H,3-4,10-11H2,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421077
PNG
(CHEMBL2087868)
Show SMILES CC(C)n1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cc(cn3C)C#N)c2c1=O
Show InChI InChI=1S/C28H26ClN7O2/c1-16(2)36-27(37)24-25(23-10-18(12-30)13-33(23)3)35(32-26(24)34(28(36)38)14-17-4-5-17)15-19-8-9-31-22-7-6-20(29)11-21(19)22/h6-11,13,16-17H,4-5,14-15H2,1-3H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421084
PNG
(CHEMBL2088119)
Show SMILES Cn1cc(nc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C3CC3)c(=O)c12)C#N
Show InChI InChI=1S/C27H23ClN8O2/c1-33-14-18(11-29)31-25(33)23-22-24(34(12-15-2-3-15)27(38)36(26(22)37)19-5-6-19)32-35(23)13-16-8-9-30-21-7-4-17(28)10-20(16)21/h4,7-10,14-15,19H,2-3,5-6,12-13H2,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421083
PNG
(CHEMBL2088118)
Show SMILES Cn1cc(nc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC=C)c(=O)c12)C#N
Show InChI InChI=1S/C27H23ClN8O2/c1-3-10-34-26(37)22-23(25-31-19(12-29)15-33(25)2)36(32-24(22)35(27(34)38)13-16-4-5-16)14-17-8-9-30-21-7-6-18(28)11-20(17)21/h3,6-9,11,15-16H,1,4-5,10,13-14H2,2H3
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n/an/a 250n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421078
PNG
(CHEMBL2087869)
Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#CCn3ccnc3)c(=O)c12)C#N
Show InChI InChI=1S/C32H26ClN9O2/c1-38-17-22(16-34)14-27(38)29-28-30(37-42(29)19-23-8-9-36-26-7-6-24(33)15-25(23)26)41(18-21-4-5-21)32(44)40(31(28)43)12-3-2-11-39-13-10-35-20-39/h6-10,13-15,17,20-21H,4-5,11-12,18-19H2,1H3
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n/an/a 260n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421050
PNG
(CHEMBL2087841)
Show SMILES CC(C)Cn1c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cccn3C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C25H25ClN6O2/c1-15(2)13-31-23-21(24(33)30(4)25(31)34)22(20-6-5-11-29(20)3)32(28-23)14-16-9-10-27-19-8-7-17(26)12-18(16)19/h5-12,15H,13-14H2,1-4H3
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n/an/a 260n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421051
PNG
(CHEMBL2087842)
Show SMILES Cc1sc(N)nc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C24H22ClN7O2S/c1-12-19(28-23(26)35-12)20-18-21(31(10-13-3-4-13)24(34)30(2)22(18)33)29-32(20)11-14-7-8-27-17-6-5-15(25)9-16(14)17/h5-9,13H,3-4,10-11H2,1-2H3,(H2,26,28)
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n/an/a 280n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421063
PNG
(CHEMBL2087854)
Show SMILES CC(C#C)n1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cncn3C)c2c1=O
Show InChI InChI=1S/C27H24ClN7O2/c1-4-16(2)35-26(36)23-24(22-12-29-15-32(22)3)34(31-25(23)33(27(35)37)13-17-5-6-17)14-18-9-10-30-21-8-7-19(28)11-20(18)21/h1,7-12,15-17H,5-6,13-14H2,2-3H3
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n/an/a 460n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421087
PNG
(CHEMBL2087870)
Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CCn3cccn3)c(=O)c12)C#N
Show InChI InChI=1S/C30H26ClN9O2/c1-36-16-20(15-32)13-25(36)27-26-28(35-40(27)18-21-7-9-33-24-6-5-22(31)14-23(21)24)39(17-19-3-4-19)30(42)38(29(26)41)12-11-37-10-2-8-34-37/h2,5-10,13-14,16,19H,3-4,11-12,17-18H2,1H3
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n/an/a 470n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50256537
PNG
(1-(5-phenyl-3-(thiophen-2-yl)-3H-benzo[e][1,4]diaz...)
Show SMILES OC1CN(C1)C1=Nc2ccccc2C(=NC1c1cccs1)c1ccccc1
Show InChI InChI=1S/C22H19N3OS/c26-16-13-25(14-16)22-21(19-11-6-12-27-19)24-20(15-7-2-1-3-8-15)17-9-4-5-10-18(17)23-22/h1-12,16,21,26H,13-14H2
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n/an/a 500n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of MurI in wild type Helicobacter pylori J99


Bioorg Med Chem Lett 19: 930-6 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate racemase


(Helicobacter pylori J99)
BDBM50256640
PNG
(CHEMBL445496 | N-methyl-5-(1H-pyrrol-3-yl)-3-(thio...)
Show SMILES CNC1=Nc2ncccc2C(=NC1c1cccs1)c1cc[nH]c1
Show InChI InChI=1S/C17H15N5S/c1-18-17-15(13-5-3-9-23-13)21-14(11-6-8-19-10-11)12-4-2-7-20-16(12)22-17/h2-10,15,19H,1H3,(H,18,20,22)
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n/an/a 600n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of MurI in wild type Helicobacter pylori J99


Bioorg Med Chem Lett 19: 930-6 (2009)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421079
PNG
(CHEMBL2088114)
Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CCn3ccnn3)c(=O)c12)C#N
Show InChI InChI=1S/C29H25ClN10O2/c1-36-15-19(14-31)12-24(36)26-25-27(34-40(26)17-20-6-7-32-23-5-4-21(30)13-22(20)23)39(16-18-2-3-18)29(42)38(28(25)41)11-10-37-9-8-33-35-37/h4-9,12-13,15,18H,2-3,10-11,16-17H2,1H3
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n/an/a 670n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50256592
PNG
(CHEMBL503732 | N-methyl-3,5-di(thiophen-2-yl)-3H-p...)
Show SMILES CNC1=Nc2ncccc2C(=NC1c1cccs1)c1cccs1
Show InChI InChI=1S/C17H14N4S2/c1-18-17-15(13-7-4-10-23-13)20-14(12-6-3-9-22-12)11-5-2-8-19-16(11)21-17/h2-10,15H,1H3,(H,18,19,21)
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n/an/a 700n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of MurI in wild type Helicobacter pylori J99


Bioorg Med Chem Lett 19: 930-6 (2009)

More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421052
PNG
(CHEMBL2087843)
Show SMILES Cc1nc(N)sc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C24H22ClN7O2S/c1-12-20(35-23(26)28-12)19-18-21(31(10-13-3-4-13)24(34)30(2)22(18)33)29-32(19)11-14-7-8-27-17-6-5-15(25)9-16(14)17/h5-9,13H,3-4,10-11H2,1-2H3,(H2,26,28)
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n/an/a 740n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

More data for this
Ligand-Target Pair
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